tspecht93 / HANNALinks
HANNA: Hard-constraint Neural Network for Consistent Activity Coefficient Prediction
☆24Updated last month
Alternatives and similar repositories for HANNA
Users that are interested in HANNA are comparing it to the libraries listed below
Sorting:
- A Python library designed to swiftly and effortlessly obtain the UNIFAC-like groups from molecules by their names and subsequently integr…☆25Updated 2 months ago
- tools to perform group contribution (GC) identification, given the SMILES of a compound☆20Updated last month
- Functions implementing the PC-SAFT equation of state, including association, electrolyte and dipole terms☆54Updated last year
- ☆44Updated 5 months ago
- Pairwise interaction segment activity coefficients, reference implementation in Python☆18Updated last year
- Ideal Adsorbed Solution Theory☆58Updated 4 years ago
- DESPASITO: Determining Equilibrium State and Parametrization Application for SAFT, Intended for Thermodynamic Output☆19Updated 8 months ago
- A Benchmark Implementation of COSMO-SAC☆68Updated 3 months ago
- The Pitzer model for chemical activities and equilibria in aqueous solutions in Python☆17Updated 8 months ago
- An python script implementation to solve classical Density Functional Theory for Lennard-Jones fluids on 1D and 3D geometries☆21Updated last year
- LVPP sigma-profile database + COSMO-SAC parametrizations☆66Updated last week
- ☆27Updated 6 months ago
- A repository with examples on essential knowledge of chemical engineering.☆54Updated 9 months ago
- ☆84Updated 4 months ago
- Python GUI program for a quick estimation of physicochemical properties of molecules.☆44Updated 7 years ago
- ARC - Automatic Rate Calculator☆46Updated this week
- ☆16Updated 6 months ago
- ☆100Updated 5 months ago
- A Python library for solution chemistry☆70Updated 3 weeks ago
- The database of chemical parameters used with Reaction Mechanism Generator☆116Updated last week
- The future of Packmol☆38Updated 4 months ago
- A highly efficient, flexible, and accurate implementation of thermodynamic EOS powered by automatic differentiation☆70Updated last month
- Totally Open Pressure Swing Adsorption Intensification Laboratory☆14Updated last week
- Chemical equilibrium for electrolytes system in pure python.☆26Updated 3 years ago
- The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms☆83Updated last week
- Open-source implementation of PC-SAFT equation of state☆12Updated 2 years ago
- This repository includes pKa data digitized and curated from reference books published by IUPAC.☆71Updated 5 months ago
- A framework for processing adsorption data and isotherm fitting☆77Updated 7 months ago
- Course notes for the CMU course 06-262 Math Methods of Chemical Engineering (ODE's, linear algebra, PDEs, stats) in the form of jupyter n…☆24Updated 2 years ago
- A framework for conducting polymer reference interaction site model (PRISM) calculations☆44Updated 4 years ago